2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline

C43H30N2O2 — CID 56968353

IUPAC2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
SMILESCOc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C43H30N2O2/c1-46-33-24-22-32(23-25-33)42-43(41(31-14-6-3-7-15-31)36-17-9-11-19-39(36)45-42)47-34-26-20-30(21-27-34)40-28-37(29-12-4-2-5-13-29)35-16-8-10-18-38(35)44-40/h2-28H,1H3
InChIKeyJLAWKHQJXBGIFB-UHFFFAOYSA-N
MW606.73 g/mol
LogP11.25
Rot. Bonds7

About 2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline

2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline (PubChem CID 56968353) has the molecular formula C43H30N2O2 and a molecular weight of 606.73 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
PubChem CID56968353
Molecular FormulaC43H30N2O2
Molecular Weight606.73 g/mol
Exact Mass606.23
IUPAC Name2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
SMILESCOc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C43H30N2O2/c1-46-33-24-22-32(23-25-33)42-43(41(31-14-6-3-7-15-31)36-17-9-11-19-39(36)45-42)47-34-26-20-30(21-27-34)40-28-37(29-12-4-2-5-13-29)35-16-8-10-18-38(35)44-40/h2-28H,1H3
InChIKeyJLAWKHQJXBGIFB-UHFFFAOYSA-N
XLogP11.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The IUPAC name of 2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline (CID 56968353) is 2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The canonical SMILES for 2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline is COc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The InChIKey is JLAWKHQJXBGIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O2/c1-46-33-24-22-32(23-25-33)42-43(41(31-14-6-3-7-15-31)36-17-9-11-19-39(36)45-42)47-34-26-20-30(21-27-34)40-28-37(29-12-4-2-5-13-29)35-16-8-10-18-38(35)44-40/h2-28H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline has a molecular weight of 606.73 g/mol, XLogP of 11.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline is sourced from PubChem (CID 56968353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).